[3-methyl-2-(octadecylcarbamoyloxymethyl)but-2-enyl] 8-bromanyloctanoate

Systemtic Name: [3-methyl-2-(octadecylcarbamoyloxymethyl)but-2-enyl] 8-bromanyloctanoate Openeye Name: [3-methyl-2-(octadecylcarbamoyloxymethyl)but-2-enyl] 8-bromooctanoate CAS Name: 8-bromooctanoic acid [3-methyl-2-[[(octadecylamino)-oxomethoxy]methyl]but-2-enyl] ester IUPAC Name: [3-methyl-2-(octadecylcarbamoyloxymethyl)but-2-enyl] 8-bromooctanoate Traditional Name: 8-bromocaprylic acid [3-methyl-2-(stearylcarbamoyloxymethyl)but-2-enyl] ester Formula: C33H62BrNO4 MolecularWeight: 616.75368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(=C(C)C)COC(=O)CCCCCCCBr

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(=C(C)C)COC(=O)CCCCCCCBr

InChI

InChI=1S/C33H62BrNO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-35-33(37)39-29-31(30(2)3)28-38-32(36)25-22-19-18-20-23-26-34/h4-29H2,1-3H3,(H,35,37)